4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine

C16H17ClFN — CID 22270684

IUPAC4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16H,9,19H2,1H3
InChIKeyOZXJAUVFRMMVAQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine

4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine (PubChem CID 22270684) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine
PubChem CID22270684
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16H,9,19H2,1H3
InChIKeyOZXJAUVFRMMVAQ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine (CID 22270684) is 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine?
The InChIKey is OZXJAUVFRMMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16H,9,19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine?
4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 22270684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).